Strategy Combining Free Volume Theory and Fragment Contribution Corresponding State Method for Predicting Viscosities of Ionic Liquids

Wenhui Tu; Shaojuan Zeng; Xiaochun Zhang; Xuezhong He; Lei Liu; Suojiang Zhang; Xiangping Zhang

doi:10.1021/acs.iecr.8b06255

Strategy Combining Free Volume Theory and Fragment Contribution Corresponding State Method for Predicting Viscosities of Ionic Liquids

Wenhui Tu, Shaojuan Zeng^*, Xiaochun Zhang, Xuezhong He, Lei Liu, Suojiang Zhang, Xiangping Zhang

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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Abstract

In this study, we proposed a strategy that combines the fragment contribution corresponding states (FCCS) and free volume theory (FVT) method, namely FCCS-FVT, to calculate the viscosities of ionic liquids (ILs) covering a wide range of temperatures and pressures. In the method, the FCCS model was used to calculate the critical properties and densities of ILs, and then based on those values, the FVT model was applied to calculate the viscosities of ILs. The results indicated that the FCCS-FVT method shows high accuracy with 6.6% in average absolute relative deviation of total 2138 data points (25 ILs), which covers a wide range of temperatures (258.15-573 K) and pressures (0.06-300 MPa). Moreover, it is more convenient for the FCCS-FVT method to be applied for quick and accurate calculation of viscosities of ILs because it needs only three adjustable parameters.

Original language	English
Pages (from-to)	5640-5649
Number of pages	10
Journal	Industrial and Engineering Chemistry Research
Volume	58
Issue number	14
DOIs	https://doi.org/10.1021/acs.iecr.8b06255
State	Published - 10 Apr 2019
Externally published	Yes

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title = "Strategy Combining Free Volume Theory and Fragment Contribution Corresponding State Method for Predicting Viscosities of Ionic Liquids",

abstract = "In this study, we proposed a strategy that combines the fragment contribution corresponding states (FCCS) and free volume theory (FVT) method, namely FCCS-FVT, to calculate the viscosities of ionic liquids (ILs) covering a wide range of temperatures and pressures. In the method, the FCCS model was used to calculate the critical properties and densities of ILs, and then based on those values, the FVT model was applied to calculate the viscosities of ILs. The results indicated that the FCCS-FVT method shows high accuracy with 6.6% in average absolute relative deviation of total 2138 data points (25 ILs), which covers a wide range of temperatures (258.15-573 K) and pressures (0.06-300 MPa). Moreover, it is more convenient for the FCCS-FVT method to be applied for quick and accurate calculation of viscosities of ILs because it needs only three adjustable parameters.",

author = "Wenhui Tu and Shaojuan Zeng and Xiaochun Zhang and Xuezhong He and Lei Liu and Suojiang Zhang and Xiangping Zhang",

note = "Publisher Copyright: Copyright {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = apr,

day = "10",

doi = "10.1021/acs.iecr.8b06255",

language = "英语",

volume = "58",

pages = "5640--5649",

journal = "Industrial and Engineering Chemistry Research",

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T1 - Strategy Combining Free Volume Theory and Fragment Contribution Corresponding State Method for Predicting Viscosities of Ionic Liquids

AU - Tu, Wenhui

AU - Zeng, Shaojuan

AU - Zhang, Xiaochun

AU - He, Xuezhong

AU - Liu, Lei

AU - Zhang, Suojiang

AU - Zhang, Xiangping

PY - 2019/4/10

Y1 - 2019/4/10

N2 - In this study, we proposed a strategy that combines the fragment contribution corresponding states (FCCS) and free volume theory (FVT) method, namely FCCS-FVT, to calculate the viscosities of ionic liquids (ILs) covering a wide range of temperatures and pressures. In the method, the FCCS model was used to calculate the critical properties and densities of ILs, and then based on those values, the FVT model was applied to calculate the viscosities of ILs. The results indicated that the FCCS-FVT method shows high accuracy with 6.6% in average absolute relative deviation of total 2138 data points (25 ILs), which covers a wide range of temperatures (258.15-573 K) and pressures (0.06-300 MPa). Moreover, it is more convenient for the FCCS-FVT method to be applied for quick and accurate calculation of viscosities of ILs because it needs only three adjustable parameters.

AB - In this study, we proposed a strategy that combines the fragment contribution corresponding states (FCCS) and free volume theory (FVT) method, namely FCCS-FVT, to calculate the viscosities of ionic liquids (ILs) covering a wide range of temperatures and pressures. In the method, the FCCS model was used to calculate the critical properties and densities of ILs, and then based on those values, the FVT model was applied to calculate the viscosities of ILs. The results indicated that the FCCS-FVT method shows high accuracy with 6.6% in average absolute relative deviation of total 2138 data points (25 ILs), which covers a wide range of temperatures (258.15-573 K) and pressures (0.06-300 MPa). Moreover, it is more convenient for the FCCS-FVT method to be applied for quick and accurate calculation of viscosities of ILs because it needs only three adjustable parameters.

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U2 - 10.1021/acs.iecr.8b06255

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SN - 0888-5885

VL - 58

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EP - 5649

JO - Industrial and Engineering Chemistry Research

JF - Industrial and Engineering Chemistry Research

IS - 14

ER -

Strategy Combining Free Volume Theory and Fragment Contribution Corresponding State Method for Predicting Viscosities of Ionic Liquids

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